ライフサイエンスコーパス: small molecule

1 aces through release and characterisation of small molecules.

2 molecular structures modulated by endogenous small molecules.

3 s through either activation or inhibition by small molecules.

4 ures to now include more than 950 000 unique small molecules.

5 PPIs, transferring these characteristics to small molecules.

6 lecular recognition of biological targets by small molecules.

7 the biomedical applications of assemblies of small molecules.

8 hanism of the CARD9 protective variant using small molecules.

9 any potential advantages for the analysis of small molecules.

10 acetylide containing conjugated polymers and small molecules.

11 ein interactions, are difficult to target by small molecules.

12 can frequently be targeted by electrophilic small molecules.

13 le cells based on the uptake of radiolabeled small molecules.

14 e previously dominated by tryptophan-derived small molecules.

15 ne" biosynthesis of many genetically encoded small molecules.

16 We identified a small molecule, AC1903, that specifically blocks TRPC5 c

17 SCs based on fullerene derivative or organic small molecule acceptors.

18 Finally, we show the transport of small molecules across the nucleic envelope via insertio

19 imers, thus identifying the first allosteric small molecule acting on these important therapeutic tar

20 multiplexed as demonstrated by simultaneous small molecule activation from two independent DNA circu

21 Thus, small-molecule activation of CgoX represents an effectiv

22 ly developed a series of orally bioavailable small molecule activators of PP2A, termed SMAPs.

23 nts an advancement toward the development of small molecule activators of tumor suppressor proteins.

24 al plus-strand RNA viruses that binds to the small molecule ADP-ribose.

25 igate the therapeutic potential of BAR501, a small molecule agonist for GPBAR1.

26 y-enabled high-throughput screen to identify small-molecule agonists of TFEB and discover three novel

27 Inhibition of ubiquitination with small molecules also significantly decreased ehrlichial

28 covery and mechanistic characterization of a small molecule, (aminooxy)acetic acid, that reprograms t

29 g protein along with two recently identified small molecule amyloid inhibitors (i.e., rifamycin SV an

30 Small molecule and peptide-based drug leads, identified

31 recognition that are orthogonal to classical small molecule and protein-based approaches.

32 compounds and efforts toward development of small molecules and biologics that could be of therapeut

33 e prediction of possible binding pockets for small molecules and definition of corresponding pharmaco

34 operties allow them to activate a variety of small molecules and enthalpically strong bonds, to stabi

35 cells, proteins, and macromolecules down to small molecules and ions.

36 sults establish potent Sirt6 activation with small molecules and provide a structural basis for furth

37 apacity for the isocratic separations of the small molecules and the gradient separations of proteins

38 tates the coordinated discovery of bioactive small molecules and their molecular targets.

39 ptors, was optimized using CCS values of 205 small molecules and validated using a set of 131 pestici

40 or Alzheimer's disease (AD), leading to many small-molecule and biological drug candidates.

41 The N-doped 2D GO is also impermeable to small molecules, and hence a highly efficient PEM for pr

42 d be used to screen for structural elements, small molecules, and host factors that alter these relat

43 Advances in the design of small molecule anion carriers are reviewed in addition t

44 icated and diverse structural foundations of small molecule antagonism and allostery, highlight the i

45 s study we report that a potent and specific small molecule antagonist of the CCR6 chemokine receptor

46 metabolomics techniques to study the fate of small-molecule antibacterials within the targeted organi

47 We also identified the approved small-molecule antifungal agent ciclopirox as a novel pa

48 d States alone despite the widespread use of small-molecule antimicrobial combination therapy.

49 Thus, small molecules applied locally to the skin can be used

50 the inherent heterogeneity of tumors, these small molecules are often administered in combination to

51 Most small molecules are unable to rapidly traverse the outer

52 e ambipolar conjugated polymers and unipolar small molecules as the transport layers, to achieve reli

53 ervations indicate that the self-assembly of small molecules, as multifaceted entities and processes

54 line an approach for the redox activation of small molecules at mild potentials based on conjugated,

55 ized to an antibody-based (trastuzumab) vs a small molecule-based (lapatinib) anti-HER2 therapy.

56 cted the most benefit from an antibody- vs a small molecule-based drug against the same target.

57 duced background signals for the analysis of small molecules (below m/z of 1000).

58 Prior research using small-molecule BET bromodomain inhibitors, such as JQ1,

59 e of exactly how and how strongly a range of small molecules bind to their respective protein targets

60 a proteome scale from which a set of 13,858 small molecule binding pockets were identified.

61 ogene in pancreatic cancer cells by means of small molecules binding to RG4s in the 5'-UTR of mRNA.

62 rokaryotes and eukaryotes, and recognized as small-molecule binding proteins.

63 nd mass spectrometry (MS) can be used to map small-molecule binding sites for a rapidly aggregating p

64 ailed, largely because of a lack of adequate small-molecule-binding pockets on the Ras surface.

65 ligases are gaining importance as targets to small molecules, both for direct inhibition and to be hi

66 esolution (1.95 A) co-crystal structure of a small molecule bound to the catalytic active site of p30

67 tical laboratories for the identification of small molecules buried in complex mixtures.

68 se was selective, as the permeability of the small molecule calcein co-incubated with the protein-pol

69 ivity, and mechanism of action of a group of small molecules, called non-saccharide glycosaminoglycan

70 We also infer that small molecules can alter oligomer-induced toxicity by m

71 itical for orderly HIV-1 maturation and that small molecules can inhibit maturation by perturbing mol

72 n in biology, and reactivity inaccessible by small-molecule catalysts.

73 This process represents the first small-molecule catalyzed kinetic resolution of aliphatic

74 Treatment with the small-molecule CD11b agonist LA1 led to partial integrin

75 Small-molecule CD4-mimetic compounds (CD4mc) bind gp120

76 map the structures of ACKR3:CXCL12 and ACKR3:small-molecule complexes, including dynamic regions that

77 The initial screen of small molecule compound libraries identified more than t

78 Here a small molecule library of 500,000 small molecule compounds was screened in silico against

79 ological low pH in vitro and is inhibited by small molecule compounds, such as the drug tafamidis.

80 reporter assay, we identified several novel small-molecule compounds that selectively inhibited PB1-

81 We performed a high-throughput screen of 484 small-molecule compounds to identify those that reduced

82 we show that the self-assembling ability of small molecules controls the anticancer activity of EISA

83 HP small molecules could have a dramatic impact on persiste

84 We investigated the small molecule crystal structure of lead molecule 7 and

85 lexes is reviewed and discussed as a part of small molecule crystallography.

86 r for responses to dCK-dependent prodrugs or small-molecule dCK inhibitors.

87 Organic small-molecule, dendrimer, polymer, and exciplex emitter

88 ort scaffold selection and prioritization in small molecule development projects.

89 The small-molecule diesters act as diluents that increase th

90 ing mass spectrometry, we generated a map of small molecules differentially expressed in the Drosophi

91 chelome" of A. chroococcum is examined using small molecule discovery and bioinformatics.

92 o concentrate a range of analytes, including small molecules, DNA, proteins, and nanoparticles, in th

93 Treatment with the small-molecule DOT1L inhibitor SGC0946 reduced H3K79 met

94 or polymeric microspheres containing another small molecule drug with different solubility profiles c

95 g risperidone (a practically water insoluble small molecule drug).

96 el system is apolipoprotein E3 (apoE3) and a small-molecule drug candidate.

97 ncreasingly popular method to identify novel small-molecule drug candidates.

98 NSAID/ASIC interaction and pave the way for small-molecule drug design targeting pain and inflammati

99 We then compared R-BIND to both FDA-approved small molecule drugs and RNA ligands without reported bi

100 ene core, a new thieno[3,4-b]thiophene-based small-molecule electron acceptor, 2,2'-((2Z,2'Z)-((6,6'-

101 s not require microsampling and the proteins/small molecules extraction can be performed directly in

102 trigger for the release and activation of a small molecule fluorophore, we constructed AND and OR lo

103 e site in both morphologies is accessible to small molecules for catalysis.

104 d plant metabolites are promising sources of small molecules for drug discovery.

105 apabilities of cancer, but how to design the small molecules for EISA from the vast molecular space r

106 that is critical to the specificity of these small molecules for SMN2 over other genes.

107 ver fibrosis, we sought to identify improved small molecule functional mimetics of H2-RLX with select

108 tion, and support the further development of small molecule Gas6-TAM interaction inhibitors as a nove

109 edox biomarker with the ability to release a small-molecule gasotransmitter known to trigger pathways

110 Small molecule Gbetagamma-GRK2 inhibition initiated 1 we

111 Systemic small molecule Gbetagamma-GRK2 inhibition initiated 1 we

112 regulation of GUS expression in response to small-molecule glucuronides.

113 A radiolabeled small-molecule GPR44 antagonist, [(11)C]AZ12204657, was

114 ribing their application to the detection of small molecules (haptens).

115 ntermediate, weakly bound state in which the small molecule has residual degrees of rotational diffus

116 c generation of supramolecular assemblies of small molecules has made considerable progress in the la

117 system to modulate protein homeostasis using small molecules has promising therapeutic potential.

118 derstanding and controlling self-assembly of small molecules have produced a large library of candida

119 We show that the small-molecule histone deacetylase inhibitor M344 reduce

120 s, with a focus on the discoveries regarding small molecules identified in screens designed with a ba

121 Small-molecule imidazoquinoline Toll-like receptor (TLR)

122 ) as a label-free approach to chemically map small molecules in aggregated and single Escherichia col

123 icularly in the gut, and at least 20% of the small molecules in human blood are products of the micro

124 lts support a role for phenylalanine-derived small molecules in preformed and inducible Arabidopsis d

125 n bacteria that modulate gene expression via small-molecule-induced conformational changes.

126 t Boolean logic look-up table; circuits with small-molecule-inducible control; and circuits that inco

127 sitive approach for target identification of small molecules inducing selective protein degradation.

128 e efforts also determined that many of these small molecules inhibit the protein-protein interactions

129 In common culture conditions, we found that small molecule inhibition, genetic deletion, or acute de

130 shRNA or small-molecule inhibition of PU.1 in AML cells from eith

131 Small-molecule inhibition of ROCK suppressed MYCN-driven

132 ic activity of CK2 using the next-generation small molecule inhibitor CX-4945 in vitro significantly

133 of p38 MAPK activity via RNA interference or small molecule inhibitor led to cell accumulation in G1

134 ion of the drebrin/EB3 pathway using BTP2, a small molecule inhibitor of drebrin binding to actin fil

135 OGN This down-regulation can be rescued by a small molecule inhibitor of G9a.

136 In wild-type mice, we show that a small molecule inhibitor that covalently binds in the ac

137 examined the antitumor activity of CMLD-2, a small-molecule inhibitor directed against HuR, using non

138 Intraperitoneal injection of the HuR small-molecule inhibitor MS-444 in AOM/DSS mice, a model

139 ning an Xist antisense oligonucleotide and a small-molecule inhibitor of DNA methylation, which, toge

140 telets and in human platelets treated with a small-molecule inhibitor of Gbetagamma.

141 ely, treatment with 4-methylumbelliferone, a small-molecule inhibitor of HA synthesis, reduced HA acc

142 A small-molecule inhibitor of pCRP (1,6-bis(phosphocholine

143 A small-molecule inhibitor of STAMBP deubiquitinase activi

144 ed, submicromolar-affinity (IC50 = 0.2 muM), small-molecule inhibitor of the inward rectifier potassi

145 he molecular effects of a recently developed small-molecule inhibitor of the KDM5 family of proteins

146 The BCL-2 small-molecule inhibitor venetoclax shows promising clin

147 II (FXIIa) were developed, the generation of small molecule inhibitors has been challenging.

148 ementable device to deliver either siRNAs or small molecule inhibitors in vivo, we showed that suppre

149 We have identified small molecule inhibitors of NNMT with >1000-fold range

150 Small molecule inhibitors of pre-mRNA splicing are impor

151 mes have been knocked out, we are developing small molecule inhibitors of selected enzymes as tools t

152 We showed that small molecule inhibitors of the PIM2 and ZAK kinases sy

153 d in this study may guide efforts to develop small molecule inhibitors of this critically important e

154 between GAS6 and AXL and the promiscuity of small molecule inhibitors represent important challenges

155 show that ESCs grown in the presence of two small-molecule inhibitors (2i ESCs) have a longer G1-pha

156 Here, we demonstrate that EGFR-targeting small-molecule inhibitors have efficacy in EGFR-amplifie

157 tor for BET degraders, which synergized with small-molecule inhibitors of BCL-xL in triggering apopto

158 here allows rapid and improved detection of small-molecule inhibitors of HBx and related viral prote

159 , summarizes the current status of exogenous small-molecule inhibitors of RAGE and concludes by ident

160 Small-molecule inhibitors of RIP1 kinase that are suitab

161 Here, we report the identification of novel small-molecule inhibitors of the CD40-CD40L interaction

162 We discuss how small-molecule inhibitors of the tryptophan (Trp) catabo

163 Small-molecule inhibitors targeting actomyosin contracti

164 for the development of both miniprotein and small-molecule inhibitors that directly target the Ras p

165 Orally administered small-molecule inhibitors that suppress inflammation (ta

166 The discovery of nonnucleoside, reversible, small-molecule inhibitors with greater specificity again

167 re, using a mouse cerebral malaria model and small-molecule inhibitors, we demonstrate that inhibitin

168 matic activity and influences the binding of small-molecule inhibitors.

169 he cell from changes in osmotic pressure and small molecule insults.

170 and scaffold-like properties for protein and small molecule interaction.

171 d application to studies of protein cofactor-small molecule interactions.

172 s, leading to species-specific outcomes from small molecule interactions.

173 schemes for the electroporative transfer of small molecules into cells and point to the necessity fo

174 in regulating the passage of leukocytes and small molecules into the CNS has been studied extensivel

175 Despite the success of enzymatic and small molecule iron catalysts mediating challenging C(sp

176 proton-carbon coupling constants ((1)JCH) in small molecules is presented.

177 tream inhibition of STAT1 signaling with the small-molecule Janus kinase 1/2 inhibitor ruxolitinib in

178 se (FAK) and paxillin interactions using the small molecule JP-153 inhibited Src-dependent phosphoryl

179 ng a select antioxidant and an EGFR-specific small molecule kinase inhibitor (SMKI) could be an effec

180 A small molecule kinase inhibitor of EphA2 effectively sup

181 The development of effective biologics and small-molecule kinase inhibitors in the past two decades

182 on assay to provide direct evidence that the small molecule LGK974, which is in clinical trials for m

183 dy serves as a cautionary tale for screening small molecule libraries and provides insights into the

184 Advances in the synthesis and screening of small-molecule libraries have accelerated the discovery

185 hological settings, we previously screened a small molecule library for novel autophagy-enhancing fac

186 , we performed phenotypic screens on a NINDS small molecule library of 1040 drugs.

187 Here a small molecule library of 500,000 small molecule compoun

188 To carry out these studies we identified small molecule ligands using a homology model of GPR171

189 nctionalized with ligands on the chain ends, small molecule ligands, and palladium ions; polyMOCs are

190 in and between proteins and protein, DNA, or small-molecule ligands, including van der Waals', ionic,

191 isolated pockets previously found to engage small-molecule ligands.

192 This work underscores the capacity for small molecule-like tunability and mechanistic tractabil

193 tion curve of 0.98 and 0.99 for proteins and small molecules, low but very repeatable recoveries, par

194 raises the possibility that HMBA or related small molecules may be explored as therapeutic adjuvants

195 ated that extracellular matrix organization, small molecule metabolic process, cell adhesion (GO IDs:

196 biological and pharmacological diversity of small molecule metabolites.

197 Furthermore, a small molecule modulator of CR3 reduces soluble Abeta le

198 sults showed how rubone acts as an efficient small-molecule modulator of miR-34a to reverse chemoresi

199 d provides a platform for the exploration of small molecule modulators of hPINK1.

200 ng site on the SBD is a potential target for small molecule modulators of the Hsp70 allosteric cycle.

201 de a structural basis for the development of small molecule modulators that would reduce Abeta produc

202 Existing small-molecule modulators of V-ATPase either are restric

203 In contrast, ICA-121431, a small-molecule Nav1.1 inhibitor, accelerates a subsequen

204 gle polypeptide and a new molecule (polymer, small molecule, nucleic acid, carbohydrate, etc.).

205 its thioester bond could be cleaved with the small-molecule nucleophiles methylamine and histamine, b

206 These small molecules of the heterocyclic diamidine family dis

207 d for the determination of both proteins and small molecules on several types of supports, showing ex

208 y accurate quantifications of the effects of small molecules on specific microscopic steps in Abeta42

209 Screening for small molecules or drugs that can protect or restore mec

210 Targeted therapies for cancer are typically small molecules or monoclonal antibodies that act by inh

211 een an indium tin oxide anode and the common small molecule organic semiconductor N,N'-Bis(3-methylph

212 thod for rapid identification of synergistic small-molecule pairs, the overlap2 method (O2M).

213 RLM were applied to assess the effect of the small molecule pan-PHD inhibitor ethyl-3,4-dihydroxybenz

214 ilizing specific 14-3-3 protein complexes by small molecules, peptide mimetics, and natural products.

215 Dual inhibition of these pathways by the small-molecule PI3K inhibitor pictilisib (GDC-0941) and

216 Whereas numerous small-molecule positive allosteric modulators of the lig

217 novel Pt-bisacetylide containing conjugated small molecules possessing an unconventional "roller-whe

218 A small molecule previously shown to bind the Nef dimeriza

219 versing the plasma membrane directly, like a small-molecule prodrug.

220 The results recapitulated known small molecule:protein interactions and also revealed th

221 systems for pharmaceutical agents, including small molecules, proteins, vaccines, monoclonal antibodi

222 R protein-conducting channel is permeable to small molecules, provided the driving force of a concent

223 ts that promote multielectron conversions of small-molecule reactants.

224 Our technology can report on the extent of small molecules released after photoactivation as well a

225 t proteins, with orally available, bona fide small molecules remains a significant but immensely wort

226 hibition of RUNX1 activity with the Ro5-3335 small molecule resulted in a significant reduction of ne

227 parallel, chemokine receptor structures with small molecules reveal the complicated and diverse struc

228 d pharmacophore search were utilized for the small molecule screening, identification, and optimizati

229 4,5-b]indole core, we identified a series of small molecules showing high binding affinities to BET p

230 Here we demonstrate that treatment with a small-molecule Sigma1 inhibitor prevented 5alpha- dihydr

231 Host-microbe communication via small molecule signals is important for both symbiotic a

232 es to HIV-1 latency and can be targeted with small-molecule SMYD2 inhibitors.

233 This drift is not observed in the small molecule Spiro-MeOTAD.

234 Small molecule splicing modifiers have been previously d

235 We show that fusicoccin-A (FC-A), a small-molecule stabilizer of 14-3-3 protein-protein inte

236 nd the mechanism of inhibition, in which the small molecule stabilizes a mobile C-terminal helix insi

237 tep entirely by bioinformatically predicting small molecule structures from the primary sequences of

238 This study highlights the role of a small molecule such as ThT in selectively favoring the f

239 erent types of amphiphiles (both polymer and small-molecule surfactants) were guided to form hetero-v

240 approach will be applicable to other protein/small molecule systems that are difficult to study by tr

241 In this study, we evaluated HuR as a small-molecule target for preventing colorectal cancer i

242 Here, we screened a panel of small molecules targeting epigenetic modulators against

243 Small molecules targeting Plk1 are mainly ATP-competitor

244 ogen encounter, raising the possibility that small molecules targeting SFKs could modulate pDC respon

245 The recent discovery of small molecules targeting the cytochrome bc1 :aa3 in Myc

246 We previously reported on a series of small molecules targeting the kappa-opioid (KOP) recepto

247 nantly sandwich assays) are not suitable for small molecule targets.

248 ial to generate a broad range of fluorinated small-molecule targets in living cells.

249 , we identified prostaglandin E1 (PGE1) as a small molecule that partly elicited the gene expression

250 Enoxacin is a small molecule that stimulates RNA interference (RNAi) a

251 m the retrospective studies, namely that the small molecules that are most likely to accumulate conta

252 Together, these observations establish that small molecules that bind to the interface between TAM I

253 focused our efforts on the identification of small molecules that could suppress let-7 targets, as th

254 ophysiology of Parkinson's disease (PD), and small molecules that counteract the initial stages of di

255 Small molecules that disable the Wnt acyltransferase Por

256 C-1alpha acetylation in cells and identified small molecules that increase PGC-1alpha acetylation, su

257 We screened 1600 compounds and identified 21 small molecules that induce HSC inactivation.

258 , click chemistry-based approach to identify small molecules that interfere with the palmitoylation o

259 ruggable targets and identify a new class of small molecules that may be further optimized for the re

260 in the clinic are derived from antibodies or small molecules that mitigate growth factor activity.

261 pathways may lead to the rational design of small molecules that modulate aging and hence alter the

262 Thus, small molecules that modulate antioxidant levels and/or

263 populations serve as a new tool to identify small molecules that modulate discrete plant functions t

264 Preincubation of WT-TTR with small molecules that occupy the T4 binding site eliminat

265 Hydrotropes are small molecules that solubilize hydrophobic molecules in

266 data provide the first evidence to date that small molecules that target 12/15-LOX can prevent progre

267 Small molecules that target Bcl-2 are used in the clinic

268 platform for accelerating the validation of small molecules that target MmpL3, and their development

269 ntly used antibiotics and provides important small molecules that trigger powerful innate immune resp

270 demonstrate a control mechanism via separate small molecules that turn on the enzyme (activator) and

271 rbed to identify an optimized combination of small molecules that yielded approximately 25% CHX10(+)

272 d by oxidative oligomerization of catecholic small molecules, the physical properties of melanins are

273 ost cellular responses represents a possible small-molecule therapeutic modality (microbiome-biosynth

274 direct inhibitors of the p38 MAP kinase or a small-molecule therapeutic that also inhibits the activa

275 nt targets not amenable to antibody-based or small molecule therapeutics.

276 es of lead structures for the development of small-molecule therapeutics, very little is known about

277 ngs offer a preclinical proof of concept for small-molecule therapies to target the CBP/p300 bromodom

278 in vitro and in vivo, and treatment with the small molecule TNFR inhibitor R-7050 partially protected

279 elements that directly couple the sensing of small molecules to gene expression.

280 Bacteria use a plethora of small molecules to sense and orchestrate intra- and inte

281 ic targeting vectors for the localization of small molecules to the mitochondrial matrix.

282 broaden sequence recognition of DNA-targeted-small-molecules to include both A.T and G.C base pairs,

283 predict drug-to-target relationships from 2D small-molecule topology patterns.

284 N-glycosylation, and 2-5 d to synthesize the small-molecule toxins and prepare the gsADCs.

285 While the initial uptake rate of the small molecule tracer was slower (k1=0.0478+/-0.011s(-1)

286 y was to develop and characterize a specific small-molecule tracer for PET imaging that binds with hi

287 Here, we report the first application of a small molecule-type thermosensitive fluorescent dye, ERt

288 inly on the individual response of atoms and small molecules using soft X-rays with much lower intens

289 development of sensitive detection of other small molecules using trap-based LC-ESI-MS/MS detection.

290 the enormous therapeutic potential of these small molecules will greatly benefit the future of perio

291 lationships, leading to the development of a small molecule with around 75-fold selectivity towards K

292 We labeled this small molecule with QD620 for flow cytometry and confoca

293 e first observation of non-cyclic-nucleotide small molecules with agonist properties towards EPAC1.

294 Small molecules with novel and defined mechanisms of inh

295 ul research tool but lacks the advantages of small molecules with respect to cell permeability, tempo

296 roperties (e.g., self-assembling ability) of small molecules with the efficacy of a molecule process

297 sive polymers, we show cytosolic delivery of small molecules with the spatial resolution of single en

298 a consistent cleft palate phenotype to test small-molecule Wnt agonist therapies.

299 The controlled intravenous delivery of small-molecule Wnt agonists (Dkk inhibitors) into pregna

300 We previously discovered that small-molecule zinc chelators called zinc metallochapero